4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(4-cyanophenyl)sulfonylpiperazino]-3-keto-propyl]benzamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N4O4S/c1-25(2,3)21-8-6-20(7-9-21)24(31)27-13-12-23(30)28-14-16-29(17-15-28)34(32,33)22-10-4-19(18-26)5-11-22/h4-11H,12-17H2,1-3H3,(H,27,31)